(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride

C13H10Cl2N2 — CID 12730125

IUPAC(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2/c14-11-6-4-5-10(9-11)13(15)17-16-12-7-2-1-3-8-12/h1-9,16H/b17-13-
InChIKeyALKCQHMSVKTUPQ-LGMDPLHJSA-N
MW265.14 g/mol
LogP4.35
Rot. Bonds3

About (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 12730125) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID12730125
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N\Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2/c14-11-6-4-5-10(9-11)13(15)17-16-12-7-2-1-3-8-12/h1-9,16H/b17-13-
InChIKeyALKCQHMSVKTUPQ-LGMDPLHJSA-N
XLogP4.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride (CID 12730125) is (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride is Cl/C(=N\Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is ALKCQHMSVKTUPQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c14-11-6-4-5-10(9-11)13(15)17-16-12-7-2-1-3-8-12/h1-9,16H/b17-13-.
What are the key properties of (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 265.14 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-chloro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 12730125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).